SCHEMBL10693623

SCHEMBL10693623

O=C(O)CC(=O)c1cc(F)c(F)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
PKM P14618 1/20 0.34
GPR27 Q9NS67 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8726560 0.82 PTPN1 (0.40) PTPN1ERCC5FEN1TSHRSMN1; SMN2
SCHEMBL30781525 0.82 PTPN1 (0.40) PTPN1ERCC5FEN1TSHRSMN1; SMN2
SCHEMBL27850334 0.78 ALDH1A1 (0.41) TSHRHSD17B10SMN1; SMN2L3MBTL4HPGD
SCHEMBL10515545 0.78 PTPN1 (0.35) PTPN1ERCC5FEN1KEAP1NFE2L2
SCHEMBL500029 0.77 SMN1; SMN2 (0.50) PTPN1TSHRHSD17B10SMN1; SMN2KEAP1
SCHEMBL9226589 0.77 POLB (0.50) ERCC5FEN1TSHRSMN1; SMN2HPGD
Butane SCHEMBL10841930 0.76 PTPN1 (0.36) PTPN1ERCC5FEN1TSHRHSD17B10
SCHEMBL22395416 0.74 ALDH1A1 (0.40) KMT2APOLBAPEX1DGAT1
SCHEMBL1187294 0.74 PTPN1 (0.38) PTPN1ERCC5FEN1SMN1; SMN2KEAP1
SCHEMBL30194898 0.74 PTPN1 (0.38) PTPN1ERCC5FEN1SMN1; SMN2KEAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4786649-A ANTISEPTICS OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1988-11-22 US disclosed
US-4684648-A Antimicrobial 1-substituted phenyl-4-oxoquinoline-3-carboxylic acid compounds and compositions thereof OTSUKA PHARMACEUTICAL COMPANY LIMITED (JP) 1987-08-04 US disclosed
EP-0228035-A2 Antimicrobial 1-thienyl-4-oxoquinoline-3-carboxylix acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 EP disclosed
EP-0181521-A1 Antimicrobial 1-substituted Phenyl-4-oxoquinoline-3-carboxylic acid compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-21 EP disclosed